Basic information
- Standard SMILES
Cc1c(S(=O)(=O)O)ccc(C#N)c1Cl- InChIKey
KWZLBJSJYCSWNO-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO3S
- Average molar mass
- 231.66 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-4-cyano-2-methylbenzenesulfonic acid
- IUPAC
- 3-chloro-4-cyano-2-methylbenzenesulfonic acid
Names & synonyms
SCHEMBL974220
Database identifiers
- PubChem CID
- 59520079
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 353
Related reactions
1 records
Compound notes
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